SCHEMBL15548445

SCHEMBL15548445

CC1CN(c2ccc(C(=O)O)c(Cl)c2)CCN1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
NR4A1 P22736 1/20 0.49
NOTUM Q6P988 6/20 0.45
WDR5 P61964 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
RAB9A P51151 2/20 0.42
AVPR2 P30518 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16874956 1.00 MYC (0.49) MYCNR4A1NOTUMWDR5ESR1
SCHEMBL15546813 0.85 MYC (0.52) MYCNR4A1NOTUMRAB9AAVPR2
SCHEMBL31212938 0.83 ADRA2A (0.42) ESR1ESR2TSHRADRA2AADRA2B
SCHEMBL15923279 0.80 RAB9A (0.56) MYCNR4A1RAB9AAVPR2NPC1
SCHEMBL25261783 0.80 MYC (0.50) MYCNR4A1NOTUMRAB9ANPC1
SCHEMBL15547883 0.79 MYC (0.49) MYCNR4A1NOTUMAVPR2SMN1; SMN2
SCHEMBL1921934 0.77 USP2 (0.58) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL15630491 0.77 NOTUM (0.55) MYCNR4A1NOTUMAVPR2SMN1; SMN2
SCHEMBL15547434 0.77 MYC (0.52) MYCNR4A1NOTUMRAB9ANPC1
SCHEMBL15559780 0.76 MYC (0.46) MYCNR4A1NOTUMAVPR2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO MYC 37/4885NR4A1 282/4885NOTUM 2885/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO MYC 37/4885NR4A1 282/4885NOTUM 2885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.